6-bromanyl-1-butyl-2-methyl-5-oxidanyl-N-(1-phenethylpiperidin-4-yl)indole-3-carboxamide

Systemtic Name: 6-bromanyl-1-butyl-2-methyl-5-oxidanyl-N-(1-phenethylpiperidin-4-yl)indole-3-carboxamide Openeye Name: 6-bromo-1-butyl-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidyl)indole-3-carboxamide CAS Name: 6-bromo-1-butyl-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidinyl)-3-indolecarboxamide IUPAC Name: 6-bromo-1-butyl-5-hydroxy-2-methyl-N-(1-phenethylpiperidin-4-yl)indole-3-carboxamide Traditional Name: 6-bromo-1-butyl-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidyl)indole-3-carboxamide Formula: C27H34BrN3O2 MolecularWeight: 512.48176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC(=C(C=C21)Br)O)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C(=C(C2=CC(=C(C=C21)Br)O)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H34BrN3O2/c1-3-4-13-31-19(2)26(22-17-25(32)23(28)18-24(22)31)27(33)29-21-11-15-30(16-12-21)14-10-20-8-6-5-7-9-20/h5-9,17-18,21,32H,3-4,10-16H2,1-2H3,(H,29,33)